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465547-72-2

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Basic Information
CAS No.: 465547-72-2
Name: 3,6-Di-tert-butylnaphthalene-1,8-diamine
Molecular Structure:
Molecular Structure of 465547-72-2 (3,6-Di-tert-butylnaphthalene-1,8-diamine)
Formula: C18H26N2
Molecular Weight: 270.41
Synonyms: 3,6-Bis(tert-butyl)naphthalene-1,8-diamine;
Density: 1.034 g/cm3
Boiling Point: 418.144 °C at 760 mmHg
Flash Point: 247.456 °C
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    3,6-Di-tert-butylnaphthalene-1,8-diamine

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  • 3,6-Di-tert-butylnaphthalene-1,8-diamine

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    3,6-Di-tert-butylnaphthalene-1,8-diamine

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  • 3,6-ditert-butylnaphthalene-1,8-diamine

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    3,6-ditert-butylnaphthalene-1,8-diamine

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    3,6-di-tert-butylnaphthalene-1,8-diamine

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Specification

The 3, 6-Di-tert-butylnaphthalene-1, 8-diamine, with the CAS registry number 465547-72-2, is also known as 3, 6-Bis(tert-butyl)naphthalene-1, 8-diamine. This chemical's molecular formula is C18H26N2 and molecular weight is 270.41. What's more, its systematic name is 3, 6-Ditert-butylnaphthalene-1, 8-diamine.

Physical properties about 3, 6-Di-tert-butylnaphthalene-1, 8-diamine are: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.716; (4)ACD/LogD (pH 7.4): 4.764; (5)ACD/BCF (pH 5.5): 2200.289; (6)ACD/BCF (pH 7.4): 2457.395; (7)ACD/KOC (pH 5.5): 8323.746; (8)ACD/KOC (pH 7.4): 9296.387; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.04 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 89.342 cm3; (15)Molar Volume: 261.485 cm3; (16)Polarizability: 35.418×10-24 cm3; (17)Surface Tension: 40.305 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 247.456 °C; (20)Enthalpy of Vaporization: 67.165 kJ/mol; (21)Boiling Point: 418.144 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1cc2cc(cc(c2c(c1)N)N)C(C)(C)C
(2) InChI: InChI=1/C18H26N2/c1-17(2,3)12-7-11-8-13(18(4,5)6)10-15(20)16(11)14(19)9-12/h7-10H,19-20H2,1-6H3
(3) InChIKey: QNHNREPBVMWLMB-UHFFFAOYAC